4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide

C12H16F3N3O — CID 114900716

IUPAC4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide
SMILESCCN(CCN)c1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O/c1-2-18(6-5-16)8-3-4-9(11(17)19)10(7-8)12(13,14)15/h3-4,7H,2,5-6,16H2,1H3,(H2,17,19)
InChIKeyRROWVUSSABRVHQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.59
Rot. Bonds5

About 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide

4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide (PubChem CID 114900716) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide
PubChem CID114900716
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide
SMILESCCN(CCN)c1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O/c1-2-18(6-5-16)8-3-4-9(11(17)19)10(7-8)12(13,14)15/h3-4,7H,2,5-6,16H2,1H3,(H2,17,19)
InChIKeyRROWVUSSABRVHQ-UHFFFAOYSA-N
XLogP1.59
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815
4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 63691278
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 79379754
4-[2-hydroxyethyl(propyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 61425931
4-[bis(2-hydroxyethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 61234313
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
4-[ethyl(propyl)amino]-2-fluorobenzenecarbothioamide
CID 115367915
4-[propan-2-yl(propyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 43269752
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
4-[butan-2-yl(methyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 43273130
4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide
CID 165345913
[5-(diethylamino)-2-(trifluoromethyl)phenyl]thiourea
CID 59626935

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide (CID 114900716) is 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide is CCN(CCN)c1ccc(C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide?
The InChIKey is RROWVUSSABRVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-18(6-5-16)8-3-4-9(11(17)19)10(7-8)12(13,14)15/h3-4,7H,2,5-6,16H2,1H3,(H2,17,19).
What are the key properties of 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide?
4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 114900716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).